3-(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanoic acid

C9H10FNO2S — CID 105468443

IUPAC3-(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2c(s1)C(F)CC2
InChIInChI=1S/C9H10FNO2S/c10-5-1-2-6-9(5)14-7(11-6)3-4-8(12)13/h5H,1-4H2,(H,12,13)
InChIKeySGOIXMWWFKJSNP-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.12
Rot. Bonds3

About 3-(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanoic acid

3-(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanoic acid (PubChem CID 105468443) has the molecular formula C9H10FNO2S and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanoic acid
PubChem CID105468443
Molecular FormulaC9H10FNO2S
Molecular Weight215.25 g/mol
Exact Mass215.04
IUPAC Name3-(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2c(s1)C(F)CC2
InChIInChI=1S/C9H10FNO2S/c10-5-1-2-6-9(5)14-7(11-6)3-4-8(12)13/h5H,1-4H2,(H,12,13)
InChIKeySGOIXMWWFKJSNP-UHFFFAOYSA-N
XLogP2.12
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanoic acid?
The IUPAC name of 3-(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanoic acid (CID 105468443) is 3-(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanoic acid?
The canonical SMILES for 3-(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanoic acid is O=C(O)CCc1nc2c(s1)C(F)CC2.
What is the InChIKey of 3-(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanoic acid?
The InChIKey is SGOIXMWWFKJSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2S/c10-5-1-2-6-9(5)14-7(11-6)3-4-8(12)13/h5H,1-4H2,(H,12,13).
What are the key properties of 3-(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanoic acid?
3-(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanoic acid has a molecular weight of 215.25 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanoic acid is sourced from PubChem (CID 105468443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).